CAS 79060-88-1

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Also known as: 79060-88-1, Sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate, Nabarf, Pc1999, Sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide, Mfcd00043323

Molecular Formula

C₃₂H₁₂BF₂₄Na

Molecular Weight

886.2 g/mol

InChI Key

LTGMONZOZHXAHO-UHFFFAOYSA-N

1 2D Structure

CAS 79060-88-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

2.1.2 InChI

InChI=1S/C32H12BF24.Na/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1

2.1.3 InChI Key

LTGMONZOZHXAHO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 79060-88-1

2. Sodium Tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

3. Nabarf

4. Pc1999

5. Sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

6. Mfcd00043323

7. C32h12bf24na

8. Schembl226082

9. Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]-borate

10. Dtxsid70635585

11. Amy39139

12. Bcp18675

13. Akos015900300

14. Cs-w007369

15. As-10729

16. Sy046767

17. Ft-0676911

18. S0447

19. A839564

20. Sodium Tetrakis(3,5-bis-trifluoromethylphenyl)borate

21. Tetrakis[3,5-bis(trifluoromethyl)phenyl]boron Sodium

22. Sodiotetrakis[3,5-bis(trifluoromethyl)phenyl] Boron(v)

23. Benzene, 1,3-bis(trifluoromethyl)-, Boron Complex, Nabarf

24. Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-)

25. Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate, Selectophore(tm)

26. Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;sodium Tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

2.3 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₁₂BF₂₄Na
Molecular Weight	886.2 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	25
Rotatable Bond Count	0
Exact Mass	886.0546507 g/mol
Monoisotopic Mass	886.0546507 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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